Sugi Predict

Sugi Predict / Compounds / SCHEMBL4583214

SCHEMBL4583214

SCHEMBL4583214

COCCCCOc1ccc([C@@H]2[C@@H](OCc3ccc4c(c3)N(CCCOC)CCO4)CN(C(=O)OC(C)OC(=O)C(C)C)C[C@H]2OCC(C)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.33
▸ RORC P51449 6/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4583210 1.00 REN (0.33) RENRORC
SCHEMBL4581227 0.93 REN (0.33) RENRORC
SCHEMBL4581232 0.93 REN (0.33) RENRORC
SCHEMBL1040276 0.90 REN (0.36) RENRORC
SCHEMBL1040275 0.90 REN (0.36) RENRORC
SCHEMBL1036445 0.89 AXL (0.37) RENRORC
SCHEMBL3905699 0.88 REN (0.36) RENRORC
SCHEMBL3905694 0.88 REN (0.36) RENRORC
SCHEMBL4597820 0.88 REN (0.34) RENRORC
SCHEMBL4583243 0.88 REN (0.36) RENRORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 — — EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 — — EP disclosed